SCHEMBL16713199

SCHEMBL16713199

CC1(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCCC(C)(C)C5CC[C@@]4(C)[C@]3(C)CC(O)[C@@]2(CO)C(O)C1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 10/20 0.63
▸ PTPN2 P17706 1/20 0.53
▸ ALOX5 P09917 2/20 0.48
▸ AKR1B10 O60218 1/20 0.48
▸ AKR1B1 P15121 1/20 0.48
▸ F3 P13726 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ OXTR P30559 1/20 0.46
▸ AVPR1A P37288 1/20 0.46
▸ CD81 P60033 1/20 0.46
▸ SIRT5 Q9NXA8 1/20 0.46
▸ USP2 O75604 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ USP7 Q93009 1/20 0.45
▸ SLCO1B3 Q9NPD5 1/20 0.45
▸ SLCO1B1 Q9Y6L6 1/20 0.45
▸ TOP1 P11387 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16713198 1.00 PTPN1 (0.63) PTPN1PTPN2ALOX5AKR1B10AKR1B1
SCHEMBL16713179 0.91 PTPN1 (0.76) PTPN1PTPN2ALOX5AKR1B10AKR1B1
SCHEMBL16713178 0.91 PTPN1 (0.76) PTPN1PTPN2ALOX5AKR1B10AKR1B1
Barringtogenol C SCHEMBL14871943 0.88 PTPN1 (0.81) PTPN1PTPN2ALOX5AKR1B10AKR1B1
Barringtogenol C SCHEMBL1049164 0.88 PTPN1 (0.81) PTPN1PTPN2ALOX5AKR1B10AKR1B1
Barringtogenol C SCHEMBL15132635 0.88 PTPN1 (0.81) PTPN1PTPN2ALOX5AKR1B10AKR1B1
SCHEMBL15132632 0.87 PTPN1 (0.68) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL4324523 0.87 PTPN1 (0.68) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL30222071 0.87 PTPN1 (0.68) PTPN1ALOX5AKR1B10AKR1B1F3
SCHEMBL1050527 0.87 PTPN1 (0.68) PTPN1ALOX5AKR1B10AKR1B1F3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994883-B2 Triterpenoid sapogenin production in plant and microbial cultures VIB VZW (BE) 2018-06-12 — — US disclosed
US-20150141633-A1 TRITERPENOID SAPOGENIN PRODUCTION IN PLANT AND MICROBIAL CULTURES UNIVERSITEIT GENT (BE) 2015-05-21 — — US disclosed
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